5-Chlorothiophene-3-carboxylic acid
TL;DR: 5-Chlorothiophene-3-carboxylic acid (CAS 59337-89-2) is a chemical compound with molecular formula C5H3ClO2S and molecular weight 161.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chlorothiophene-3-carboxylic acid
Also Known As: 5-chlorothiophene-3-carboxylic acid, Rivaroxaban Impurity 24, Rivaroxaban Impurity 136, 4-Benzyloxyphenylisocyanide, 5-Chloro-thiophene-3-carboxylic acid
| Molecular Formula | C5H3ClO2S |
|---|---|
| Molecular Weight | 161.95 g/mol |
| LogP | 2.0997 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.95422 |
| Heavy Atoms | 9 |
| Complexity | 230.61679 |
Chemical Identifiers
| CAS Number | 59337-89-2 |
|---|---|
| SMILES | C1=C(SC=C1C(=O)O)Cl |
Product Overview
5-Chlorothiophene-3-carboxylic acid (CAS 59337-89-2), with molecular formula C5H3ClO2S and molecular weight 161.95 g/mol. IUPAC: 5-chlorothiophene-3-carboxylic acid.
Chemical Property Profile of 5-Chlorothiophene-3-carboxylic acid
Property Insights of 5-Chlorothiophene-3-carboxylic acid
The XLogP value of 2.0997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chlorothiophene-3-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Chlorothiophene-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chlorothiophene-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Chlorothiophene-3-carboxylic acid?
The CAS number of 5-Chlorothiophene-3-carboxylic acid is 59337-89-2.
What is the molecular formula of 5-Chlorothiophene-3-carboxylic acid?
The molecular formula of 5-Chlorothiophene-3-carboxylic acid is C5H3ClO2S.
What is the molecular weight of 5-Chlorothiophene-3-carboxylic acid?
The molecular weight of 5-Chlorothiophene-3-carboxylic acid is 161.95 g/mol.
Where can I buy 5-Chlorothiophene-3-carboxylic acid?
You can request a quote for 5-Chlorothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chlorothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.